SCHEMBL3999937

SCHEMBL3999937

O=C(O)Nc1cccc(Oc2cc(Nc3ccc(OCc4ccccc4)cc3)c([N+](=O)[O-])cn2)c1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 4/20 0.51
▸ MEN1 O00255 6/20 0.49
▸ KMT2A Q03164 6/20 0.49
▸ CTSV O60911 5/20 0.49
▸ CTSL P07711 5/20 0.49
▸ LMNA P02545 1/20 0.46
▸ PABPC1 P11940 1/20 0.44
▸ AURKA O14965 1/20 0.43
▸ GSK3A P49840 1/20 0.43
▸ GSK3B P49841 1/20 0.43
▸ SIRT2 Q8IXJ6 3/20 0.43
▸ AR P10275 1/20 0.42
▸ SIRT1 Q96EB6 1/20 0.42
▸ SIRT3 Q9NTG7 1/20 0.42
▸ NPC1 O15118 1/20 0.42
▸ RAB9A P51151 1/20 0.42
▸ ATM Q13315 1/20 0.42

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL3999930 1.00 MAPT (0.51) MAPTMEN1KMT2ACTSVCTSL
SCHEMBL4002272 0.83 MEN1 (0.59) MAPTMEN1KMT2ANPC1RAB9A
SCHEMBL3998615 0.82 MEN1 (0.58) MAPTMEN1KMT2ANPC1RAB9A
SCHEMBL3998610 0.82 MEN1 (0.57) MAPTMEN1KMT2ANPC1RAB9A
SCHEMBL3998754 0.81 MEN1 (0.56) MAPTMEN1KMT2ALMNA
SCHEMBL4003886 0.81 MEN1 (0.48) MAPTMEN1KMT2A
SCHEMBL4003892 0.81 MEN1 (0.48) MAPTMEN1KMT2A
SCHEMBL4002579 0.77 AR (0.51) MAPTMEN1KMT2ACTSVCTSL
SCHEMBL30578494 0.77 AR (0.51) MAPTMEN1KMT2ACTSVCTSL
SCHEMBL5451216 0.73 HCAR3 (0.70) MAPTMEN1KMT2ACTSVCTSL

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7547779-B2 Preparation of 1,6-disubstituted azabenzimidazoles as kinase inhibitors GLAXO GROUP LIMITED (GB) 2009-06-16 — — US disclosed
EP-1675552-A4 PREPERATION OF 1,6-DISUBSTITUTED AZABENZIMIDAZOLES AS KINASE INHIBITORS GLAXO GROUP LTD (GB) 2009-06-03 — — EP disclosed
US-20080234261-A1 Preparation of 1,6-Disubstituted Azabenzimidazoles as Kinase Inhibitors GLAXOSMITHKLINE LLC 2008-09-25 — — US disclosed
EP-1675552-A2 PREPERATION OF 1,6-DISUBSTITUTED AZABENZIMIDAZOLES AS KINASE INHIBITORS GLAXO GROUP LIMITED (GB) 2006-07-05 — — EP disclosed
WO-2005037197-A2 PREPERATION OF 1,6-DISUBSTITUTED AZABENZIMIDAZOLES AS KINASE INHIBITORS GLAXO GROUP LIMITED (GB) 2005-04-28 — — WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20080234261-A1 Preparation of 1,6-Disubstituted Azabenzimidazoles as Kinase Inhibitors TNK2, ROCK1, ARHGDIB MAPT 2720/4885MEN1 2478/4885KMT2A 1939/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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